8013-1229 Screening compound: methyl 2H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylate

8013-1229 Screening compound: methyl 2H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylate
8013-1229 Screening compound: methyl 2H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1229
methyl 2H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8013-1229

Molecular Formula

C8H8O4S (C8 H8 O4 S)

Compound Name

methyl 2H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylate

IUPAC name

methyl 2H3H-thieno[34-b][14]dioxine-5-carboxylate

SMILES

COC(c1c2OCCOc2cs1)=O

InChI

InChI=1S/C8H8O4S/c1-10-8(9)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3

InChI Key

DEZUSZMWEWAYSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.242

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-1.49

Polar Surface Area

37.938

Acid Dissociation Constant (pKa)

31.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8013-1229 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8013-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1229?
Check Price and Availability of 8013-1229, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1229
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8013-1229 available by request